#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwd n ALA 2 N 0.00 1.94 -0.33 3.04 0.00 -1.26 -4.23 120.51 119.67 1jwd n ALA 2 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.50 1jwd n ALA 2 Cb 0.00 -1.28 0.29 0.00 0.00 0.00 0.00 19.45 18.45 1jwd n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jwd n SER 3 N -1.28 -0.11 -0.34 0.00 7.64 -1.26 -0.54 113.62 117.74 1jwd n SER 3 Ca 0.08 1.64 -0.00 0.00 1.01 0.00 0.00 58.87 61.60 1jwd n SER 3 Cb 0.14 -0.60 0.16 0.00 -1.01 0.00 0.00 64.21 62.90 1jwd n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jwd h PRO 4 N 0.00 1.19 0.12 1.43 0.11 -2.02 -1.13 132.00 131.70 1jwd h PRO 4 Ca 0.59 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.47 1jwd h PRO 4 Cb 1.21 -0.27 0.02 0.00 0.11 0.00 0.00 31.00 32.07 1jwd h PRO 4 CO -0.90 0.79 -0.71 1.25 -0.21 0.00 0.00 178.00 178.21 1jwd h LEU 5 N 1.23 0.39 -0.65 2.35 5.85 -1.14 -3.32 115.31 120.02 1jwd h LEU 5 Ca 0.36 -0.96 0.13 0.00 0.84 0.00 0.00 57.88 58.26 1jwd h LEU 5 Cb -0.06 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.75 1jwd h LEU 5 CO -0.10 1.34 0.09 0.44 -0.34 0.00 0.00 178.44 179.87 1jwd h ASP 6 N -0.47 -0.11 -0.67 1.25 3.32 -0.69 0.15 116.42 119.20 1jwd h ASP 6 Ca -0.13 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1jwd h ASP 6 Cb 1.54 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 41.27 1jwd h ASP 6 CO 0.12 -0.06 0.34 0.06 -1.72 0.00 0.00 179.24 177.99 1jwd h GLN 7 N 0.20 0.98 0.16 3.56 3.07 -1.36 0.24 115.11 121.97 1jwd h GLN 7 Ca 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 58.65 58.95 1jwd h GLN 7 Cb 0.56 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1jwd h GLN 7 CO -0.49 0.75 -0.08 0.00 0.09 0.00 0.00 178.83 179.10 1jwd h ALA 8 N 1.40 -0.22 -0.87 0.06 0.00 -0.87 0.20 119.26 118.96 1jwd h ALA 8 Ca 0.24 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jwd h ALA 8 Cb 0.09 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1jwd h ALA 8 CO -0.03 -0.39 0.56 -0.84 0.00 0.00 0.00 179.25 178.54 1jwd h ILE 9 N -0.68 1.13 -0.80 0.00 3.07 -1.06 -0.58 117.51 118.60 1jwd h ILE 9 Ca -0.02 -0.37 0.19 0.00 1.55 0.00 0.00 64.86 66.21 1jwd h ILE 9 Cb 0.49 -0.05 -0.13 0.00 -0.27 0.00 0.00 36.82 36.86 1jwd h ILE 9 CO 0.04 0.20 0.11 1.23 -1.05 0.00 0.00 178.15 178.67 1jwd h GLY 10 N 1.08 1.04 0.69 0.16 0.00 -0.34 0.32 103.07 106.02 1jwd h GLY 10 Ca 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1jwd h GLY 10 CO -0.12 -0.30 -0.49 -2.00 0.00 0.00 0.00 176.54 173.63 1jwd h LEU 11 N 0.16 -1.28 -0.47 3.11 7.12 0.10 0.27 115.31 124.33 1jwd h LEU 11 Ca 0.46 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.65 1jwd h LEU 11 Cb 0.85 0.40 -0.08 0.00 -0.53 0.00 0.00 40.66 41.29 1jwd h LEU 11 CO -0.64 -0.70 -0.05 -0.07 -0.13 0.00 0.00 178.44 176.84 1jwd h LEU 12 N -1.10 -0.31 -0.23 2.25 4.07 -1.04 0.79 115.31 119.75 1jwd h LEU 12 Ca -0.08 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1jwd h LEU 12 Cb 0.91 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1jwd h LEU 12 CO 0.03 -0.11 0.11 0.40 -1.08 0.00 0.00 178.44 177.79 1jwd h ILE 13 N 0.06 1.14 0.35 1.22 2.04 -0.76 -0.75 117.51 120.80 1jwd h ILE 13 Ca 0.23 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1jwd h ILE 13 Cb 0.35 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1jwd h ILE 13 CO -0.44 0.13 -0.21 1.23 0.00 0.00 0.00 178.15 178.87 1jwd h GLY 14 N 0.24 -0.56 0.05 5.37 0.00 0.14 0.45 103.07 108.76 1jwd h GLY 14 Ca 0.08 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1jwd h GLY 14 CO -0.01 -0.21 -0.40 -2.22 0.00 0.00 0.00 176.54 173.70 1jwd h ILE 15 N -0.54 0.18 0.05 2.60 2.04 -0.79 -0.47 117.51 120.59 1jwd h ILE 15 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1jwd h ILE 15 Cb 0.44 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1jwd h ILE 15 CO 0.04 0.00 -0.46 0.15 0.00 0.00 0.00 178.15 177.88 1jwd h PHE 16 N -0.47 -1.33 -0.03 1.37 3.04 -0.83 -2.36 116.94 116.33 1jwd h PHE 16 Ca 0.08 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 1jwd h PHE 16 Cb 0.61 0.57 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1jwd h PHE 16 CO -0.46 -0.54 -0.34 0.45 -2.02 0.00 0.00 178.31 175.40 1jwd h HIS 17 N -0.65 0.07 -0.43 0.41 3.86 -0.64 0.12 115.15 117.88 1jwd h HIS 17 Ca 0.03 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1jwd h HIS 17 Cb 0.70 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 1jwd h HIS 17 CO -0.43 0.40 0.18 0.87 0.86 0.00 0.00 177.93 179.80 1jwd h LYS 18 N 0.05 0.35 -0.26 2.45 1.57 -0.68 0.50 116.57 120.56 1jwd h LYS 18 Ca 0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1jwd h LYS 18 Cb 0.63 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1jwd h LYS 18 CO 0.05 0.23 -0.04 1.88 -0.57 0.00 0.00 179.45 181.00 1jwd h TYR 19 N 0.36 0.53 -0.68 -1.35 -1.99 -0.66 -3.02 116.97 110.15 1jwd h TYR 19 Ca 0.19 -0.11 0.15 0.00 2.00 0.00 0.00 58.73 60.97 1jwd h TYR 19 Cb 0.16 -0.13 -0.11 0.00 2.00 0.00 0.00 36.73 38.65 1jwd h TYR 19 CO -0.13 0.67 0.10 0.77 -0.00 0.00 0.00 178.16 179.57 1jwd h SER 20 N 0.23 -0.11 -1.47 3.88 0.02 -0.52 -0.17 113.55 115.41 1jwd h SER 20 Ca 0.07 0.15 0.43 0.00 -0.84 0.00 0.00 61.79 61.60 1jwd h SER 20 Cb 0.49 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 1jwd h SER 20 CO 0.02 -0.07 1.03 1.23 -1.14 0.00 0.00 176.83 177.90 1jwd h GLY 21 N 0.20 0.39 1.01 -3.77 0.00 -0.77 0.27 103.07 100.41 1jwd h GLY 21 Ca 0.37 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.70 1jwd h GLY 21 CO -0.52 -0.10 0.57 1.70 0.00 0.00 0.00 176.54 178.19 1jwd h LYS 22 N 0.05 1.02 0.01 4.80 3.64 -1.09 -3.26 116.57 121.75 1jwd h LYS 22 Ca 0.75 -0.06 -0.41 0.00 -1.27 0.00 0.00 60.65 59.66 1jwd h LYS 22 Cb 2.77 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 34.30 1jwd h LYS 22 CO -0.12 0.68 -2.38 -0.85 -2.27 0.00 0.00 179.45 174.50 1jwd n GLU 23 N -4.45 0.62 0.00 1.90 0.28 0.63 -5.11 120.64 114.51 1jwd n GLU 23 Ca 0.12 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1jwd n GLU 23 Cb 0.12 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.45 1jwd n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jwd n GLY 24 N 1.72 2.12 2.03 -1.84 0.00 0.52 -5.02 105.19 104.73 1jwd n GLY 24 Ca -0.48 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 1jwd n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jwd n ASP 25 N 0.00 4.60 -4.89 1.61 5.75 -1.26 -3.69 116.55 118.67 1jwd n ASP 25 Ca 0.00 -2.35 -0.33 0.00 -0.01 0.00 0.00 54.79 52.10 1jwd n ASP 25 Cb 0.00 -1.23 -0.05 0.00 -1.03 0.00 0.00 41.12 38.81 1jwd n ASP 25 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1jwd s LYS 26 N 1.17 3.59 -1.20 0.11 2.20 -1.26 -4.99 119.74 119.36 1jwd s LYS 26 Ca 0.55 -0.12 -0.09 0.00 -0.36 0.00 0.00 55.97 55.95 1jwd s LYS 26 Cb 0.26 -2.96 -0.12 0.00 -1.51 0.00 0.00 37.83 33.50 1jwd s LYS 26 CO 0.00 0.55 3.00 0.72 -0.36 0.00 0.00 175.35 179.25 1jwd n HIS 27 N 0.48 1.78 -3.57 4.03 8.25 -1.26 -4.77 115.22 120.16 1jwd n HIS 27 Ca -0.06 -2.62 -0.13 0.00 -0.26 0.00 0.00 57.72 54.65 1jwd n HIS 27 Cb 0.52 -2.21 -0.05 0.00 1.12 0.00 0.00 29.99 29.37 1jwd n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jwd s THR 28 N 2.05 0.03 0.15 1.59 2.01 -1.26 -0.99 115.64 119.23 1jwd s THR 28 Ca 0.66 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.44 1jwd s THR 28 Cb 0.20 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1jwd s THR 28 CO -0.04 -0.15 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.85 1jwd s LEU 29 N -2.14 2.48 0.60 4.42 1.43 0.69 -4.43 118.68 121.74 1jwd s LEU 29 Ca -0.04 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 1jwd s LEU 29 Cb -0.00 -0.50 0.09 0.00 0.03 0.00 0.00 46.19 45.80 1jwd s LEU 29 CO -0.04 -0.22 0.82 -0.44 0.23 0.00 0.00 176.35 176.70 1jwd s SER 30 N -2.90 4.96 0.03 2.29 0.01 -1.26 -0.25 113.70 116.58 1jwd s SER 30 Ca 0.15 -0.59 -0.16 0.00 1.31 0.00 0.00 55.95 56.66 1jwd s SER 30 Cb -0.01 0.00 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 1jwd s SER 30 CO 0.03 -1.41 1.24 0.11 0.41 0.00 0.00 173.24 173.62 1jwd h LYS 31 N 0.02 -0.50 -0.58 12.44 1.57 -1.97 0.11 116.57 127.66 1jwd h LYS 31 Ca -0.34 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1jwd h LYS 31 Cb 1.28 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1jwd h LYS 31 CO 0.42 -0.33 0.24 -0.22 -0.57 0.00 0.00 179.45 178.98 1jwd h LYS 32 N -0.52 0.84 -0.47 3.15 3.11 -1.97 -1.34 116.57 119.37 1jwd h LYS 32 Ca -0.05 -0.13 0.03 0.00 -2.81 0.00 0.00 60.65 57.69 1jwd h LYS 32 Cb 0.42 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1jwd h LYS 32 CO 0.05 0.69 0.27 1.49 -2.81 0.00 0.00 179.45 179.14 1jwd h GLU 33 N 0.83 0.52 -0.20 1.90 4.81 -1.93 0.25 114.58 120.77 1jwd h GLU 33 Ca 0.20 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1jwd h GLU 33 Cb 0.16 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1jwd h GLU 33 CO -0.02 0.35 0.01 1.25 -0.73 0.00 0.00 179.01 179.87 1jwd h LEU 34 N 0.54 -0.05 -1.19 1.64 7.12 -0.05 0.65 115.31 123.96 1jwd h LEU 34 Ca 0.19 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.30 1jwd h LEU 34 Cb 0.04 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.19 1jwd h LEU 34 CO -0.10 -0.00 0.56 0.50 -0.13 0.00 0.00 178.44 179.27 1jwd h LYS 35 N 0.08 0.97 -0.05 1.25 3.64 -0.37 -0.18 116.57 121.90 1jwd h LYS 35 Ca 0.09 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1jwd h LYS 35 Cb 0.11 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1jwd h LYS 35 CO -0.15 0.64 0.02 1.49 -2.27 0.00 0.00 179.45 179.18 1jwd h GLU 36 N 1.00 0.04 -0.54 1.90 4.81 0.19 0.12 114.58 122.09 1jwd h GLU 36 Ca 0.36 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.68 1jwd h GLU 36 Cb 0.14 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.40 1jwd h GLU 36 CO -0.12 0.03 -0.34 1.25 -0.73 0.00 0.00 179.01 179.09 1jwd h LEU 37 N 0.04 -1.18 0.03 1.64 6.46 0.08 1.00 115.31 123.38 1jwd h LEU 37 Ca 0.02 0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1jwd h LEU 37 Cb 0.01 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1jwd h LEU 37 CO -0.03 -0.31 -0.01 0.40 -0.62 0.00 0.00 178.44 177.87 1jwd h ILE 38 N -0.19 1.05 -0.68 4.05 2.04 -0.51 0.17 117.51 123.45 1jwd h ILE 38 Ca 0.21 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jwd h ILE 38 Cb 0.55 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1jwd h ILE 38 CO -0.65 0.06 0.38 1.56 0.00 0.00 0.00 178.15 179.50 1jwd h GLN 39 N -0.15 0.93 0.08 2.37 1.08 -0.43 0.29 115.11 119.29 1jwd h GLN 39 Ca -0.00 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 1jwd h GLN 39 Cb 0.13 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1jwd h GLN 39 CO 0.01 0.68 -0.47 -0.22 -0.95 0.00 0.00 178.83 177.88 1jwd h LYS 40 N 0.94 0.18 0.03 1.46 1.63 -0.61 -2.83 116.57 117.36 1jwd h LYS 40 Ca 0.24 -0.30 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 1jwd h LYS 40 Cb 0.02 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1jwd h LYS 40 CO -0.04 1.13 -0.28 0.93 -3.45 0.00 0.00 179.45 177.74 1jwd h GLU 41 N -0.62 0.07 0.00 1.90 4.39 -0.62 -3.40 114.58 116.30 1jwd h GLU 41 Ca -0.08 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1jwd h GLU 41 Cb 1.36 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1jwd h GLU 41 CO 0.09 1.06 -0.71 -0.07 -1.16 0.00 0.00 179.01 178.22 1jwd h LEU 42 N -0.85 0.00 -2.47 1.33 3.38 -0.64 -3.50 115.31 112.55 1jwd h LEU 42 Ca -0.06 -0.63 -0.07 0.00 0.09 0.00 0.00 57.88 57.20 1jwd h LEU 42 Cb 1.17 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.98 1jwd h LEU 42 CO 0.02 1.23 -0.25 0.41 0.09 0.00 0.00 178.44 179.94 1jwd n THR 43 N -4.52 -8.72 -1.92 0.22 -1.04 -0.18 -4.86 114.28 93.26 1jwd n THR 43 Ca -0.21 -0.54 -0.24 0.00 -2.04 0.00 0.00 64.05 61.02 1jwd n THR 43 Cb 0.56 -6.36 -0.08 0.00 -1.82 0.00 0.00 70.33 62.63 1jwd n THR 43 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1jwd s ILE 44 N -3.11 3.38 0.33 12.58 -4.36 -1.26 -4.79 121.20 123.96 1jwd s ILE 44 Ca 0.13 -0.61 0.09 0.00 -0.26 0.00 0.00 60.65 60.01 1jwd s ILE 44 Cb -0.02 -4.33 0.39 0.00 1.25 0.00 0.00 42.46 39.75 1jwd s ILE 44 CO 0.65 -0.69 1.57 1.23 0.24 0.00 0.00 174.94 177.94 1jwd h GLY 45 N 19.23 1.66 -6.18 6.27 0.00 -1.96 -2.40 103.07 119.69 1jwd h GLY 45 Ca 0.14 0.04 -0.50 0.00 0.00 0.00 0.00 47.33 47.01 1jwd h GLY 45 CO 1.16 -0.64 2.16 1.44 0.00 0.00 0.00 176.54 180.66 1jwd n SER 46 N -5.40 2.82 0.00 0.19 7.64 -1.26 -4.76 113.62 112.84 1jwd n SER 46 Ca 0.29 -2.48 0.01 0.00 1.01 0.00 0.00 58.87 57.70 1jwd n SER 46 Cb 0.97 -0.97 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1jwd n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jwd n LYS 47 N 6.08 0.03 -0.27 1.43 5.02 -0.91 -0.88 118.16 128.66 1jwd n LYS 47 Ca 0.43 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 57.16 1jwd n LYS 47 Cb 0.28 -1.50 0.37 0.00 -0.02 0.00 0.00 35.03 34.16 1jwd n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1jwd h LEU 48 N 0.00 0.67 0.00 -0.35 -0.00 -1.87 0.57 115.31 114.33 1jwd h LEU 48 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1jwd h LEU 48 Cb 0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1jwd h LEU 48 CO 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 178.44 178.78 1jwd n GLN 49 N -4.57 0.01 -0.32 1.13 6.02 -0.05 -2.26 117.38 117.34 1jwd n GLN 49 Ca 0.17 0.39 0.23 0.00 -0.01 0.00 0.00 57.00 57.79 1jwd n GLN 49 Cb 0.46 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 30.74 1jwd n GLN 49 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1jwd h ASP 50 N 0.00 0.43 -0.50 1.08 5.19 -1.09 0.31 116.42 121.84 1jwd h ASP 50 Ca 0.00 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.56 1jwd h ASP 50 Cb 0.06 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.53 1jwd h ASP 50 CO 0.00 0.08 0.16 0.00 -3.12 0.00 0.00 179.24 176.36 1jwd h ALA 51 N 1.62 0.60 -0.37 3.45 0.00 -1.67 0.15 119.26 123.02 1jwd h ALA 51 Ca 0.60 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 1jwd h ALA 51 Cb 1.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1jwd h ALA 51 CO -0.29 -0.23 0.16 0.93 0.00 0.00 0.00 179.25 179.81 1jwd h GLU 52 N 0.33 0.55 -0.76 0.00 5.08 -0.71 -2.72 114.58 116.36 1jwd h GLU 52 Ca 0.24 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1jwd h GLU 52 Cb 0.27 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1jwd h GLU 52 CO -0.26 0.52 0.44 0.82 -1.00 0.00 0.00 179.01 179.54 1jwd h ILE 53 N 0.46 0.98 -0.45 3.13 1.08 -0.10 0.10 117.51 122.72 1jwd h ILE 53 Ca 0.13 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.24 1jwd h ILE 53 Cb 0.17 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 1jwd h ILE 53 CO -0.01 0.15 -0.06 -0.37 -0.69 0.00 0.00 178.15 177.17 1jwd h VAL 54 N 0.80 1.25 0.09 1.67 -1.51 -0.59 0.33 116.25 118.29 1jwd h VAL 54 Ca 0.34 -1.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1jwd h VAL 54 Cb 0.21 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1jwd h VAL 54 CO -0.19 0.37 -0.04 0.50 -1.23 0.00 0.00 177.57 176.98 1jwd h LYS 55 N 0.71 -0.11 -0.78 5.19 1.63 -1.06 0.98 116.57 123.14 1jwd h LYS 55 Ca 0.13 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.06 1jwd h LYS 55 Cb 0.52 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.09 1jwd h LYS 55 CO 0.03 0.05 0.38 1.25 -3.45 0.00 0.00 179.45 177.71 1jwd h LEU 56 N -0.26 0.46 -0.19 5.20 6.46 -0.58 0.90 115.31 127.30 1jwd h LEU 56 Ca -0.01 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1jwd h LEU 56 Cb 0.22 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1jwd h LEU 56 CO 0.02 0.22 0.06 -0.03 -0.62 0.00 0.00 178.44 178.09 1jwd h MET 57 N 0.59 0.29 -0.23 1.25 4.05 -0.15 0.71 114.93 121.43 1jwd h MET 57 Ca 0.41 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.83 1jwd h MET 57 Cb 0.53 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.22 1jwd h MET 57 CO -0.33 0.38 -0.23 0.22 0.23 0.00 0.00 176.91 177.18 1jwd h ASP 58 N 0.14 -0.75 -0.06 1.39 1.82 0.05 0.64 116.42 119.64 1jwd h ASP 58 Ca 0.06 0.13 0.04 0.00 -0.39 0.00 0.00 57.03 56.87 1jwd h ASP 58 Cb 0.21 0.35 -0.05 0.00 0.68 0.00 0.00 39.33 40.53 1jwd h ASP 58 CO -0.00 -0.27 -0.21 0.44 -1.61 0.00 0.00 179.24 177.58 1jwd h ASP 59 N -0.24 -0.64 -0.25 2.28 3.32 -0.54 0.26 116.42 120.60 1jwd h ASP 59 Ca 0.13 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.34 1jwd h ASP 59 Cb 0.45 0.28 -0.08 0.00 0.22 0.00 0.00 39.33 40.20 1jwd h ASP 59 CO -0.37 -0.27 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.43 1jwd h LEU 60 N -0.31 -1.20 -0.36 1.55 3.38 -0.31 -2.92 115.31 115.15 1jwd h LEU 60 Ca 0.08 0.18 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1jwd h LEU 60 Cb 0.42 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1jwd h LEU 60 CO -0.24 -0.37 -0.82 -2.24 0.09 0.00 0.00 178.44 174.86 1jwd h ASP 61 N -0.38 0.27 -0.51 -0.43 3.04 -0.52 -3.33 116.42 114.57 1jwd h ASP 61 Ca 0.12 -0.20 0.03 0.00 -3.24 0.00 0.00 57.03 53.73 1jwd h ASP 61 Cb 0.58 -0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 38.76 1jwd h ASP 61 CO -0.45 0.98 0.34 -0.09 -2.04 0.00 0.00 179.24 177.97 1jwd h ARG 62 N 0.13 0.58 -1.02 4.15 2.43 -0.30 0.11 114.38 120.46 1jwd h ARG 62 Ca -0.04 -0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.34 1jwd h ARG 62 Cb 1.42 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 1jwd h ARG 62 CO 0.13 0.38 0.64 -0.97 -1.51 0.00 0.00 179.97 178.64 1jwd h ASN 63 N 0.59 0.55 -1.65 -3.80 -0.73 -1.66 0.91 115.58 109.80 1jwd h ASN 63 Ca 0.20 0.09 -0.59 0.00 1.87 0.00 0.00 56.30 57.87 1jwd h ASN 63 Cb 0.07 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 38.24 1jwd h ASN 63 CO -0.05 0.13 -0.69 0.29 -0.37 0.00 0.00 177.43 176.74 1jwd n LYS 64 N -4.70 3.40 0.00 6.67 4.76 0.31 -5.03 118.16 123.57 1jwd n LYS 64 Ca 0.25 -4.55 0.00 0.00 -2.87 0.00 0.00 58.31 51.13 1jwd n LYS 64 Cb 0.78 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1jwd n ASP 65 N -0.44 0.00 0.00 4.39 5.68 0.31 -1.98 116.55 124.51 1jwd n ASP 65 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1jwd n ASP 65 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1jwd n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jwd n GLN 66 N 0.00 3.69 -4.41 0.11 6.02 -1.24 -4.40 117.38 117.16 1jwd n GLN 66 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1jwd n GLN 66 Cb 0.00 -0.65 -0.12 0.00 1.02 0.00 0.00 30.24 30.49 1jwd n GLN 66 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1jwd s GLU 67 N -0.72 1.47 -0.48 -1.09 -1.05 -0.84 -4.20 118.70 111.79 1jwd s GLU 67 Ca 0.00 -1.46 -0.18 0.00 -0.15 0.00 0.00 54.97 53.19 1jwd s GLU 67 Cb 0.00 -1.85 0.05 0.00 -0.44 0.00 0.00 34.13 31.89 1jwd s GLU 67 CO 0.00 0.42 0.53 0.08 0.95 0.00 0.00 175.26 177.24 1jwd s VAL 68 N -1.44 5.01 0.50 1.83 1.01 0.65 -4.09 120.40 123.87 1jwd s VAL 68 Ca 0.18 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1jwd s VAL 68 Cb -0.09 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1jwd s VAL 68 CO 0.08 -0.67 1.00 0.21 0.00 0.00 0.00 175.10 175.72 1jwd s ASN 69 N 2.48 6.52 0.17 3.32 3.84 -1.26 -0.22 114.94 129.78 1jwd s ASN 69 Ca 0.12 1.68 -0.24 0.00 0.21 0.00 0.00 52.86 54.64 1jwd s ASN 69 Cb -0.20 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.04 1jwd s ASN 69 CO 0.11 -0.66 1.58 0.15 -2.79 0.00 0.00 177.10 175.50 1jwd h PHE 70 N 1.14 -1.05 -0.68 0.43 3.57 -1.42 0.11 116.94 119.04 1jwd h PHE 70 Ca -0.48 0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 1jwd h PHE 70 Cb 1.19 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 40.44 1jwd h PHE 70 CO 0.62 -0.40 0.16 0.37 -2.23 0.00 0.00 178.31 176.82 1jwd h GLN 71 N -0.24 1.08 -0.23 1.11 4.15 -1.94 -1.11 115.11 117.94 1jwd h GLN 71 Ca 0.18 -0.26 0.03 0.00 0.77 0.00 0.00 58.65 59.38 1jwd h GLN 71 Cb 0.56 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1jwd h GLN 71 CO -0.61 0.96 0.05 1.49 -1.93 0.00 0.00 178.83 178.78 1jwd h GLU 72 N 1.03 0.13 -0.26 1.69 4.57 -1.81 0.26 114.58 120.19 1jwd h GLU 72 Ca 0.21 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1jwd h GLU 72 Cb 0.37 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 1jwd h GLU 72 CO 0.00 0.09 -0.21 -0.92 -1.18 0.00 0.00 179.01 176.79 1jwd h TYR 73 N 0.14 -0.56 0.11 0.92 3.20 -0.02 0.18 116.97 120.94 1jwd h TYR 73 Ca 0.10 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1jwd h TYR 73 Cb 0.10 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1jwd h TYR 73 CO -0.15 -0.29 -0.17 0.82 -1.64 0.00 0.00 178.16 176.73 1jwd h ILE 74 N -0.21 0.61 -0.39 1.81 1.08 -0.87 0.75 117.51 120.30 1jwd h ILE 74 Ca 0.14 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 1jwd h ILE 74 Cb 0.43 0.61 -0.09 0.00 -3.07 0.00 0.00 36.82 34.70 1jwd h ILE 74 CO -0.38 0.00 -0.21 0.74 -0.69 0.00 0.00 178.15 177.61 1jwd h THR 75 N -0.34 0.40 -0.55 -0.27 2.02 -0.45 -0.30 112.91 113.41 1jwd h THR 75 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1jwd h THR 75 Cb 0.35 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1jwd h THR 75 CO -0.08 0.00 0.25 0.15 0.37 0.00 0.00 175.52 176.21 1jwd h PHE 76 N -0.14 0.81 -0.60 3.16 3.04 -0.43 -0.20 116.94 122.58 1jwd h PHE 76 Ca 0.19 -0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.21 1jwd h PHE 76 Cb 0.44 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 1jwd h PHE 76 CO -0.44 0.64 0.41 -0.07 -2.02 0.00 0.00 178.31 176.83 1jwd h LEU 77 N 0.75 0.30 -0.12 0.59 3.38 0.10 0.26 115.31 120.57 1jwd h LEU 77 Ca 0.19 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1jwd h LEU 77 Cb 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jwd h LEU 77 CO -0.02 0.18 0.03 1.23 0.09 0.00 0.00 178.44 179.94 1jwd h GLY 78 N 0.33 0.13 0.75 0.83 0.00 0.63 0.15 103.07 105.91 1jwd h GLY 78 Ca 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1jwd h GLY 78 CO -0.07 0.01 0.15 0.00 0.00 0.00 0.00 176.54 176.63 1jwd h ALA 79 N 1.08 0.43 -0.42 3.60 0.00 0.03 0.96 119.26 124.95 1jwd h ALA 79 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1jwd h ALA 79 Cb 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1jwd h ALA 79 CO -0.06 -0.23 0.09 1.25 0.00 0.00 0.00 179.25 180.30 1jwd h LEU 80 N 0.32 0.03 -0.45 0.00 5.85 -0.41 0.14 115.31 120.79 1jwd h LEU 80 Ca 0.16 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1jwd h LEU 80 Cb 0.10 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1jwd h LEU 80 CO -0.14 0.05 0.26 0.00 -0.34 0.00 0.00 178.44 178.28 1jwd h ALA 81 N 1.31 0.57 -0.64 1.25 0.00 -0.24 0.50 119.26 122.00 1jwd h ALA 81 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jwd h ALA 81 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jwd h ALA 81 CO -0.25 -0.05 0.42 1.98 0.00 0.00 0.00 179.25 181.35 1jwd h MET 82 N 0.53 0.85 -0.74 0.00 1.85 0.10 -1.23 114.93 116.29 1jwd h MET 82 Ca 0.18 -0.05 0.07 0.00 -0.61 0.00 0.00 59.70 59.29 1jwd h MET 82 Cb 0.02 -0.19 -0.06 0.00 0.43 0.00 0.00 31.60 31.79 1jwd h MET 82 CO -0.08 0.57 0.42 0.82 -0.40 0.00 0.00 176.91 178.23 1jwd h ILE 83 N 0.87 0.95 0.00 1.77 2.04 -0.30 -1.88 117.51 120.97 1jwd h ILE 83 Ca 0.24 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 1jwd h ILE 83 Cb -0.10 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 1jwd h ILE 83 CO -0.05 0.14 0.41 -1.22 0.00 0.00 0.00 178.15 177.43 1jwd n TYR 84 N -4.76 0.24 -0.40 1.37 4.01 0.12 -4.59 117.16 113.15 1jwd n TYR 84 Ca 0.11 -1.11 0.36 0.00 -0.16 0.00 0.00 57.90 57.10 1jwd n TYR 84 Cb 0.21 -1.23 0.69 0.00 -0.31 0.00 0.00 39.34 38.70 1jwd n TYR 84 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 1jwd h ASN 85 N 4.49 0.15 -0.79 7.72 7.08 -1.37 0.30 115.58 133.16 1jwd h ASN 85 Ca 0.18 0.04 0.03 0.00 -3.08 0.00 0.00 56.30 53.48 1jwd h ASN 85 Cb 0.81 0.03 -0.05 0.00 -2.08 0.00 0.00 38.32 37.03 1jwd h ASN 85 CO 0.52 -0.01 0.51 -0.33 -2.08 0.00 0.00 177.43 176.04 1jwd h GLU 86 N 0.10 0.98 -0.45 4.14 3.07 -1.88 -0.64 114.58 119.89 1jwd h GLU 86 Ca 0.68 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.39 1jwd h GLU 86 Cb 2.38 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 30.06 1jwd h GLU 86 CO -0.15 0.65 -0.08 0.00 -1.40 0.00 0.00 179.01 178.03 1jwd h ALA 87 N 1.32 0.62 0.23 3.43 0.00 -0.73 0.15 119.26 124.28 1jwd h ALA 87 Ca 0.31 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jwd h ALA 87 Cb -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1jwd h ALA 87 CO -0.10 0.49 -0.38 -0.07 0.00 0.00 0.00 179.25 179.18 1jwd h LEU 88 N 0.69 -1.09 0.38 0.00 -0.00 -1.22 -3.07 115.31 111.00 1jwd h LEU 88 Ca 0.12 0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 1jwd h LEU 88 Cb 0.61 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1jwd h LEU 88 CO 0.04 -0.49 -0.19 0.11 -0.00 0.00 0.00 178.44 177.91 1jwd h LYS 89 N -0.69 -0.50 0.00 1.13 1.57 -1.04 -3.51 116.57 113.53 1jwd h LYS 89 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jwd h LYS 89 Cb 0.67 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1jwd h LYS 89 CO -0.16 -0.33 0.00 0.41 -0.57 0.00 0.00 179.45 178.80